2,3,4a,5-tetrahydropyrano[3,2-b]pyridin-4-one

C8H9NO2 — CID 22018691

IUPAC2,3,4a,5-tetrahydropyrano[3,2-b]pyridin-4-one
SMILESO=C1CCOC2=CC=CNC12
InChIInChI=1S/C8H9NO2/c10-6-3-5-11-7-2-1-4-9-8(6)7/h1-2,4,8-9H,3,5H2
InChIKeyLNHOITIOOZGNPS-UHFFFAOYSA-N
MW151.17 g/mol
LogP0.35
Rot. Bonds

About 2,3,4a,5-tetrahydropyrano[3,2-b]pyridin-4-one

2,3,4a,5-tetrahydropyrano[3,2-b]pyridin-4-one (PubChem CID 22018691) has the molecular formula C8H9NO2 and a molecular weight of 151.17 g/mol. Its IUPAC name is 2,3,4a,5-tetrahydropyrano[3,2-b]pyridin-4-one.

Molecular Properties

Compound Name2,3,4a,5-tetrahydropyrano[3,2-b]pyridin-4-one
PubChem CID22018691
Molecular FormulaC8H9NO2
Molecular Weight151.17 g/mol
Exact Mass151.06
IUPAC Name2,3,4a,5-tetrahydropyrano[3,2-b]pyridin-4-one
SMILESO=C1CCOC2=CC=CNC12
InChIInChI=1S/C8H9NO2/c10-6-3-5-11-7-2-1-4-9-8(6)7/h1-2,4,8-9H,3,5H2
InChIKeyLNHOITIOOZGNPS-UHFFFAOYSA-N
XLogP0.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3,4a,5-tetrahydropyrano[3,2-b]pyridin-4-one?
The IUPAC name of 2,3,4a,5-tetrahydropyrano[3,2-b]pyridin-4-one (CID 22018691) is 2,3,4a,5-tetrahydropyrano[3,2-b]pyridin-4-one.
What is the SMILES notation for 2,3,4a,5-tetrahydropyrano[3,2-b]pyridin-4-one?
The canonical SMILES for 2,3,4a,5-tetrahydropyrano[3,2-b]pyridin-4-one is O=C1CCOC2=CC=CNC12.
What is the InChIKey of 2,3,4a,5-tetrahydropyrano[3,2-b]pyridin-4-one?
The InChIKey is LNHOITIOOZGNPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2/c10-6-3-5-11-7-2-1-4-9-8(6)7/h1-2,4,8-9H,3,5H2.
What are the key properties of 2,3,4a,5-tetrahydropyrano[3,2-b]pyridin-4-one?
2,3,4a,5-tetrahydropyrano[3,2-b]pyridin-4-one has a molecular weight of 151.17 g/mol, XLogP of 0.35, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4a,5-tetrahydropyrano[3,2-b]pyridin-4-one is sourced from PubChem (CID 22018691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).